SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010441531.1 NCBI__GCF_000192475.1:WP_010441531.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

1sz2B Crystal structure of e. Coli glucokinase in complex with glucose (see paper)
28% identity, 52% coverage: 297:616/618 of query aligns to 3:316/320 of 1sz2B

query
sites
1sz2B

W

Y

N

A

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L

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binding beta-D-glucopyranose: C64 (≠ G356), P65 (= P357), N98 (= N390), D99 (= D391), L138 (= L430), G139 (= G431), E156 (= E448), H159 (= H451), E186 (= E486)

2j7fA Beta-glucosidase from thermotoga maritima in complex with carboxylate- substituted glucoimidazole (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:286/435 of 2j7fA

query
sites
2j7fA

G

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x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N286 (≠ T205)
binding carboxylate-substituted glucoimidazole: H119 (= H73), E164 (vs. gap)

Sites not aligning to the query:

active site: 288, 341
binding carboxylate-substituted glucoimidazole: 18, 288, 314, 341, 388, 395, 396, 404

2j7eA Beta-glucosidase from thermotoga maritima in complex with methyl acetate-substituted glucoimidazole (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:287/436 of 2j7eA

query
sites
2j7eA

G

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x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N287 (≠ T205)
binding methyl acetate-substituted glucoimidazole: H119 (= H73), N163 (vs. gap), E164 (vs. gap), N220 (≠ L155)

Sites not aligning to the query:

active site: 289, 342
binding methyl acetate-substituted glucoimidazole: 18, 289, 342, 389, 396, 397, 405

2j7hA Beta-glucosidase from thermotoga maritima in complex with azafagomine (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:287/438 of 2j7hA

query
sites
2j7hA

G

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T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N287 (≠ T205)
binding azafagomine: H119 (= H73), E164 (vs. gap)

Sites not aligning to the query:

active site: 289, 344
binding azafagomine: 18, 289, 344, 391, 398, 399, 407
binding calcium ion: 38, 50

2j7dA Beta-glucosidase from thermotoga maritima in complex with methoxycarbonyl-substituted glucoimidazole (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:287/437 of 2j7dA

query
sites
2j7dA

G

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x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N287 (≠ T205)
binding methoxycarbonyl-substituted glucoimidazole: H119 (= H73), E164 (vs. gap), N220 (≠ L155)

Sites not aligning to the query:

active site: 289, 343
binding methoxycarbonyl-substituted glucoimidazole: 18, 289, 316, 343, 390, 397, 398, 406

2vrjA Beta-glucosidase from thermotoga maritima in complex with n-octyl-5- deoxy-6-oxa-n-(thio)carbamoylcalystegine (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:288/438 of 2vrjA

query
sites
2vrjA

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-

N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S
x
H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N288 (≠ T205)
binding (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide: H119 (= H73), E164 (vs. gap), H178 (≠ S114)

Sites not aligning to the query:

active site: 290, 344
binding calcium ion: 38, 50
binding (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide: 18, 290, 344, 391, 398, 399, 400, 401

2j7gA Beta-glucosidase from thermotoga maritima in complex with methyl acetic acid-substituted glucoimidazole (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:288/437 of 2j7gA

query
sites
2j7gA

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-

N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N288 (≠ T205)
binding methyl acetic acid-substituted glucoimidazole: H119 (= H73), E164 (vs. gap)

Sites not aligning to the query:

active site: 290, 343
binding methyl acetic acid-substituted glucoimidazole: 18, 290, 343, 390, 397, 398, 406

2wc3A Structure of family 1 beta-glucosidase from thermotoga maritima in complex with 3-imino-2-oxa-(+)-8-epi-castanospermine (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 71:292/442 of 2wc3A

query
sites
2wc3A

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-
x
N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

E

-

D

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R76 (= R30), H120 (= H73), E165 (vs. gap), V168 (vs. gap), N292 (≠ T205)
binding (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol: H120 (= H73), N164 (vs. gap), E165 (vs. gap)

Sites not aligning to the query:

active site: 294, 348
binding (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol: 19, 294, 297, 321, 348, 395, 402, 403, 411

5ossB Beta-glucosidase from thermotoga maritima in complex with gluco-1h- imidazole (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:291/443 of 5ossB

query
sites
5ossB

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-

N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

E

-

D

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N291 (≠ T205)
binding (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol: H119 (= H73), E164 (vs. gap)

Sites not aligning to the query:

active site: 293, 349
binding (4~{S},5~{S},6~{R},7~{R})-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1~{H}-benzimidazole-4,5,6-triol: 18, 293, 349, 396, 403, 404, 412

5n6tA Thermotoga maritima family 1 glycoside hydrolase complexed with a cyclophellitol analogue transition state mimic (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:291/443 of 5n6tA

query
sites
5n6tA

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-
x
N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

E

-

D

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N291 (≠ T205)
binding [(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium: H119 (= H73), N163 (vs. gap), E164 (vs. gap)

Sites not aligning to the query:

active site: 293, 349
binding [(1~{R},2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptan-2-yl]methanediazonium: 18, 293, 349, 396, 403, 404, 412

5n6sA Thermotoga maritima family 1 glycoside hydrolase complexed with carba- cyclophellitol transition state mimic (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:291/443 of 5n6sA

query
sites
5n6sA

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S
x
W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-
x
N

-
x
E

-

P

-
x
W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

E

-

D

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N291 (≠ T205)
binding azanylidene-[4-[[(1~{S},2~{R},3~{R},4~{R},5~{S},6~{S},7~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)-7-bicyclo[4.1.0]heptanyl]carbonylamino]butylimino]azanium: H119 (= H73), W120 (≠ S74), N163 (vs. gap), E164 (vs. gap), W166 (vs. gap), V167 (vs. gap)

Sites not aligning to the query:

2wc4A Structure of family 1 beta-glucosidase from thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:291/443 of 2wc4A

query
sites
2wc4A

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-
x
N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

E

-

D

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N291 (≠ T205)
binding (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol: H119 (= H73), N163 (vs. gap), E164 (vs. gap)

Sites not aligning to the query:

active site: 293, 349
binding (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol: 18, 293, 322, 349, 396, 403, 404, 412

2wbgA Structure of family 1 beta-glucosidase from thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 70:291/443 of 2wbgA

query
sites
2wbgA

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-
x
N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

E

-

D

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D

D

L

M

A

S

T

E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R75 (= R30), H119 (= H73), E164 (vs. gap), V167 (vs. gap), N291 (≠ T205)
binding (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol: H119 (= H73), N163 (vs. gap), E164 (vs. gap)

Sites not aligning to the query:

active site: 293, 349
binding (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol: 18, 293, 296, 322, 349, 396, 403, 404

2jalB Beta-glucosidase from thermotoga maritima in complex with cyclophellitol (see paper)
27% identity, 29% coverage: 25:205/618 of query aligns to 71:292/444 of 2jalB

query
sites
2jalB

G

G

L

V

D

K

M

A

Y

Y

R
|
R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

C

T

-

G

T

R

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

R

R

I

I

I

D

D

Q

T

I

L

L

L

S

E

L

K

N

G

L

I

R

T

P

P

C

F

V

V

V

T

L

I

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

F

A

A

L

L

E

Q

D

L

I

K

G

G

W

W

C

A

N

N

R

R

E

E

I

I

A

A

A

D

Y

W

F

F

S

A

D

E

F

Y

A

S

E

R

T

V

I

L

V

F

A

E

R

N

M

F

G

G

D

D

R

R

-

V

-

K

-

N

-

W

-

I

-

T

-

L

-

N

-
x
E

-

P

-

W

-
x
V

-

V

-

A

-

I

-

V

-

G

-

H

L

L

F

Y

K

G

V

V

S

H

T

A

S

P

C

G

L

M

R

R

T

-

K

-

N

-

Q

-

G

-

S

D

P

I

R

Y

I

V

E

A

A

F

R

R

S

A

L

V

H

H

H

N

Q

L

L

L

L

R

A

A

Q

H

G

A

A

R

A

A

R

V

Q

K

E

V

M

F

R

R

-

E

-

T

-

V

-

K

-

D

-

G

R

K

Y

I

G

G

L

I

T

V

N

F

L

N

G

N

A

G

E

Y

L

F

E

E

-

P

-

A

-

S

-

E

-

K

-

E

-

D

-

I

-

R

-

A

-

V

-

R

-

F

-

M

-

H

-

Q

-

F

-

N

-

Y

P

P

V

L

L

F

L

L

E

N

P

P

I

I

L

Y

H

R

A

G

K

D

Y

Y

A

P

E

E

V

L

L

V

L

L

D

E

R

F

L

A

K

R

D

E

Y

Y

F

L

P

P

D

E

N

N

W

Y

S

K

D
|
D

D

D

L

M

A

S

T
x
E

I

I

A

Q

E

E

P

K

I

I

D

D

W

F

L

V

S

G

V

L

T
x
N

active site: R76 (= R30), H120 (= H73), E165 (vs. gap), V168 (vs. gap), N292 (≠ T205)
binding calcium ion: D277 (= D190), E281 (≠ T194)
binding (1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol: H120 (= H73), E165 (vs. gap)

Sites not aligning to the query:

active site: 294, 350
binding (1r,2s,3s,4s,5r,6r)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol: 19, 350, 397, 404, 405, 413

6z1mA Structure of an ancestral glycosidase (family 1) bound to heme (see paper)
26% identity, 38% coverage: 25:261/618 of query aligns to 69:375/423 of 6z1mA

query
sites
6z1mA

G

G

L

L

D

N

M

A

Y

Y

R

R

I

F

P

S

I

I

S

S

W

W

I

P

D

R

I

I

L

L

P

P

D

E

G

G

-

E

C

G

T

K

P

V

D

N

T

Q

D

K

A

G

L

L

D

D

Q

F

C

Y

E

N

Q

N

R

L

I

I

D

D

Q

E

I

L

L

L

S

E

L

N

N

G

L

I

R

E

P

P

C

F

V

V

V

T

L

L

D

Y

H

H

S

W

E

D

L

L

P

P

P

Q

A

A

L

L

E

Q

D

D

I

K

G

G

W

W

C

E

N

N

R

R

E

E

I

T

A

V

A

D

Y

A

F

F

S

A

D

E

F

Y

A

A

E

R

T

V

I

C

V

F

A

E

R

R

M

F

G

G

D

D

R

R

-

V

-

K

-

Y

-

W

-

I

-

T

-

F

-

N

-

E

-
x
P

-
x
N

L

V

F

F

K

A

V

V

-

L

-

G

S

Y

T

L

S

S

C

G

L

V

R

H

T

P

K

P

N

G

Q

M

G

K

S

D

P

L

R

K

I

K

E

A

A

F

R

R

S

A

L

A

H

H

H

N

Q
x
L

L
|
L

L

L

A

A

Q

H

G

A

-

R

-

A

-

V

A

K

A

A

R

Y

Q

R

E

E

M

I

R

S

R

Q

Y

N

G

G

L

Q

T

I

N

G

L

I

G

T

A
x
L

E

N

L
|
L

E

S

P

P

V

V

-

Y

-

P

-

A

-

S

-

D

-

N

-

E

-

D

-

K

-

A

-

E

-

R

-

A

-

D

-

Q

-

F

-
x
N

-

N

-

W

L
x
F

L

L

E

D

P

P

I

I

L

F

H
x
K

A

G

K

K

Y
|
Y

A

-

E

E

V

H

L

M

L

L

D

E

R

R

L

L

K

G

D

E

Y

Q

F

I

P

A

D

A

N

N

-

G

-

E

-

L

-

P

-

E

W

I

S

T

D

D

D

E

L

M

A

E

T

I

I

L

A

S

E

A

P

S

I
x
L

D

D

W

F

L

I

S

G

V

L

T

N

V

Y

S

Y

Q

T

D

S

V

N

D

L

V

T

D

D

T

M

V

G

L

W

N

E

I

I

V

Y

P

P

E

E

-

G

-

L

-

Y

-

D

-

L

-

K

-
x
R

-

I

-

H

P

E

K

K

K
x
Y

P

N

L

L

P

P

V

I

F

Y

I

I

N

T

-

E

-

N

-

G

L

M

A

A

S

V

N

D

D

D

T

E

S

V

D

E

-

D

-

G

-

A

-

V

-
x
H

-

D

-

T

-

N

-

R

-

I

-

D

-

Y

L

L

T

K

H

E

G

H

L

L

D

E

A

A

I

V

H

H

I

K

A

A

L

I

K

E

Q

E

G

G

S

V

L

N

I

V

Q

R

G

G

A

Y

F

F

binding protoporphyrin ix containing fe: P164 (vs. gap), N165 (vs. gap), L194 (≠ Q136), L195 (= L137), L218 (≠ A157), L220 (= L159), N244 (vs. gap), F247 (≠ L163), K253 (≠ H169), Y256 (= Y172), L288 (≠ I199), R318 (vs. gap), Y323 (≠ K224)
binding magnesium ion: H346 (vs. gap)

Sites not aligning to the query:

binding magnesium ion: 409

3wh7A Crystal structure of gh1 beta-glucosidase td2f2 l-fucose complex (see paper)
28% identity, 36% coverage: 23:245/618 of query aligns to 70:324/443 of 3wh7A

query
sites
3wh7A

A

A

T

L

G

G

L

M

D

N

M

A

Y

Y

R

R

I

F

P

S

I

I

S

A

W

W

I

P

D

R

I

I

L

V

P

P

D

L

G

G

C

A

T

G

P

P

D

I

T

N

D

Q

A

A

-

G

L

L

D

D

Q

H

C

Y

E

S

Q

R

R

M

I

V

D

D

Q

A

I

L

L

L

S

G

L

A

N

G

L

L

R

Q

P

P

C

F

V

V

V

T

L

L

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

Q

A

P

L

L

E

E

D

D

I

R

G

L

G

G

W

W

C

G

N

S

R

R

E

A

I

T

A

A

A

T

Y

V

F

F

S

A

D

E

F

Y

A

A

E

D

T

I

I

V

V

V

A

R

R

Q

M

L

G

G

D

D

R

R

L

V

F

T

K

H

V

W

S

A

T

T

-

L

-
x
N

-
x
E

-

P

-

W

-

C

-

S

-

A

-

M

-

L

-

G

S

Y

C

Y

L

L

R

G

T

V

K

H

N

A

Q

P

G

G

S

H

P

T

R

D

I

L

E

K

A

R

-

G

-

L

R

E

S

A

L

S

H

H

H

N

Q

L

L

L

A

G

Q

H

G

G

A

L

A

A

R

V

Q

Q

E

A

M

M

R

R

R

A

Y

A

G

A

L

P

T

Q

N

P

L

L

G

Q

A

I

-

G

-

I

-

V

-

L

E

N

L

L

E

T

P

P

V

T

-

Y

-

P

-

A

-

S

-

D

-

S

-

P

-

E

-

D

-

V

-

A

-

R

-

F

-

D

-

G

-

F

-

V

-

N

-

R

-

W

L

F

L

L

E

D

P

P

I

L

L

A

H

G

A

R

K

G

Y

Y

A

P

E

Q

V

D

L

M

L

L

D

D

R

Y

L

Y

K

G

D

A

Y

A

F

A

P

P

D

Q

N

A

W

N

S

P

D

E

D

D

L

L

A

T

T

Q

I

I

A

A

E

A

P

P

I

L

D

D

W

W

L

L

S

G

V

V

T

N

V

Y

S
x
Y

Q

E

D

R

V

-

D

-

V

-

D

-

T

-

V

-

L

M

N

R

I

A

V

V

P

D

E

A

P

P

K

D

K

A

P

S

L

L

P

P

V

Q

F

A

I

Q

N

R

L

L

A

-

S

-

N

-

D

D

T

D

S

P

D

D

L

L

T

P

H

H

G

T

L

A

D

D

binding beta-D-fucopyranose: H121 (= H73), N165 (vs. gap), E166 (vs. gap), Y295 (≠ S207)

Sites not aligning to the query:

binding beta-D-fucopyranose: 20, 352, 399, 406, 407, 415

3wh6A Crystal structure of gh1 beta-glucosidase td2f2 glucose complex (see paper)
28% identity, 36% coverage: 23:245/618 of query aligns to 70:324/443 of 3wh6A

query
sites
3wh6A

A

A

T

L

G

G

L

M

D

N

M

A

Y

Y

R

R

I

F

P

S

I

I

S

A

W

W

I

P

D

R

I

I

L

V

P

P

D

L

G

G

C

A

T

G

P

P

D

I

T

N

D

Q

A

A

-

G

L

L

D

D

Q
x
H

C

Y

E

S

Q
x
R

R

M

I

V

D

D

Q

A

I

L

L

L

S

G

L

A

N

G

L

L

R

Q

P

P

C

F

V

V

V

T

L

L

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

Q

A

P

L

L

E

E

D

D

I

R

G

L

G

G

W

W

C

G

N

S

R

R

E

A

I

T

A

A

A

T

Y

V

F

F

S

A

D

E

F

Y

A

A

E

D

T

I

I

V

V

V

A

R

R

Q

M

L

G

G

D

D

R

R

L

V

F

T

K

H

V

W

S

A

T

T

-

L

-

N

-
x
E

-

P

-

W

-

C

-

S

-

A

-

M

-

L

-

G

S

Y

C

Y

L

L

R

G

T

V

K

H

N

A

Q

P

G

G

S

H

P

T

R

D

I

L

E

K

A

R

-

G

-

L

R

E

S

A

L

S

H

H

H

N

Q

L

L

L

A

G

Q

H

G

G

A

L

A

A

R

V

Q

Q

E

A

M

M

R

R

R

A

Y

A

G

A

L

P

T

Q

N

P

L

L

G

Q

A

I

-

G

-

I

-

V

-

L

E

N

L

L

E

T

P

P

V

T

-

Y

-

P

-

A

-

S

-

D

-

S

-

P

-

E

-

D

-

V

-

A

-

R

-

F

-

D

-

G

-

F

-

V

-

N

-

R

-

W

L

F

L

L

E

D

P

P

I

L

L

A

H

G

A

R

K

G

Y

Y

A

P

E

Q

V

D

L

M

L

L

D

D

R

Y

L

Y

K

G

D

A

Y

A

F

A

P

P

D

Q

N

A

W

N

S

P

D

E

D

D

L

L

A

T

T

Q

I

I

A

A

E

A

P

P

I

L

D

D

W

W

L

L

S

G

V

V

T

N

V

Y

S
x
Y

Q

E

D

R

V

-

D

-

V

-

D

-

T

-

V

-

L

M

N

R

I

A

V

V

P

D

E

A

P

P

K

D

K

A

P

S

L

L

P

P

V

Q

F

A

I

Q

N

R

L

L

A

-

S

-

N

-

D

D

T

D

S

P

D

D

L

L

T

P

H

H

G

T

L

A

D

D

binding beta-D-glucopyranose: H100 (≠ Q52), R103 (≠ Q55), H121 (= H73), E166 (vs. gap), Y295 (≠ S207)

Sites not aligning to the query:

binding beta-D-glucopyranose: 20, 28, 40, 42, 48, 58, 59, 325, 352, 399, 406, 407, 415
binding alpha-D-glucopyranose: 358, 412, 414

6jfpA Crystal structure of the beta-glucosidase bgl15 (see paper)
28% identity, 29% coverage: 25:205/618 of query aligns to 69:288/444 of 6jfpA

query
sites
6jfpA

G

G

L

L

D

Q

M

A

Y

Y

R

R

I

F

P

S

I

V

S

N

W

W

I

G

D

R

I

I

L

F

P

P

D

D

G

G

C

T

T

G

P

R

-

L

D

N

T

S

D

A

A

G

L

L

D

D

Q

F

C

Y

E

E

Q

R

R

L

I

V

D

D

Q

A

I

L

L

L

S

E

L

A

N

G

L

I

R

E

P

P

C

L

V

A

V

T

L

L

D

Y

H

H

S

W

E

D

L

L

P

P

P

A

A

A

L

L

E

D

D

D

I

R

G

G

W

W

C

L

N

N

R

P

E

E

I

I

A

A

A

H

Y

W

F

F

S

A

D

D

F

Y

A

A

E

G

T

A

I

M

V

F

A

E

R

R

M

L

G

D

D

G

R

R

L

V

F

K

K

R

V

W

S

A

T

T

-

L

-

N

-
x
E

-

P

-

W

-

V

-

I

-

T

-

D

-

G

-

Y

-

L

-

H

-

G

-

A

S

L

C

A

L

P

R

G

T

H

K

R

N

N

Q

V

G

F

S

E

P

A

R

P

I

I

E

A

A

S

R

R

S

N

L

L

H

-

Q

-

L

M

L

L

A

A

Q

H

G

G

A

A

R

V

Q

Q

E

R

M

Y

R

R

R

Q

Y

A

G

G

L

K

T

H

N

E

L

I

G

G

-

L

-

V

A

V

E

N

L

I

E

E

P

P

-

K

-

Y

-

P

-

A

-

S

-

E

-

S

-

D

-

S

-

D

-

R

-

N

-

A

V

A

L

R

L

S

E

D

P

A

I

Y

L

M

H

N

A

R

K

Q

Y

Y

A

L

E

D

V

P

L

A

L

F

-

G

-

L

-

G

-

C

-

P

D

T

R

E

L

M

K

A

D

E

Y

I

F

F

P

G

D

P

N

A

W

W

S

R

D

D

-

W

-

T

-

A

-

E

D

E

L

L

A

A

T

L

I

A

A

A

E

Q

P

P

I

I

D

D

W

W

L

L

S

G

V

I

T

N

binding beta-D-glucopyranose: E163 (vs. gap)

Sites not aligning to the query:

binding beta-D-glucopyranose: 17, 290, 321, 348, 403, 404

3wh8A Crystal structure of gh1 beta-glucosidase td2f2 isofagomine complex (see paper)
28% identity, 36% coverage: 23:245/618 of query aligns to 66:318/437 of 3wh8A

query
sites
3wh8A

A

A

T

L

G

G

L

M

D

N

M

A

Y

Y

R

R

I

F

P

S

I

I

S

A

W

W

I

P

D

R

I

I

L

V

P

P

D

L

G

G

C

A

T

G

P

P

D

I

T

N

D

Q

A

A

-

G

L

L

D

D

Q

H

C

Y

E

S

Q

R

R

M

I

V

D

D

Q

A

I

L

L

L

S

G

L

A

N

G

L

L

R

Q

P

P

C

F

V

V

V

T

L

L

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

Q

A

P

L

L

E

E

D

D

I

R

G

L

G

G

W

W

C

G

N

S

R

R

E

A

I

T

A

A

A

T

Y

V

F

F

S

A

D

E

F

Y

A

A

E

D

T

I

I

V

V

V

A

R

R

Q

M

L

G

G

D

D

R

R

L

V

F

T

K

H

V

W

S

A

T

T

-

L

-

N

-
x
E

-

P

-

W

-

C

-

S

-

A

-

M

-

L

-

G

S

Y

C

Y

L

L

R

G

T

V

K

H

N

A

Q

P

G

G

S

H

P

T

R

D

I

L

E

K

A

R

-

G

-

L

R

E

S

A

L

S

H

H

H

N

Q

L

L

L

A

G

Q

H

G

G

A

L

A

A

R

V

Q

Q

E

A

M

M

R

R

R

A

Y

A

G

A

L

P

T

Q

N

P

L

L

G

Q

A

I

-

G

-

I

-

V

-

L

E

N

L

L

E

T

P

P

V

T

-

Y

-

P

-

A

-

S

-

D

-

S

-

P

-

E

-

D

-

V

-

A

-

R

-

F

-

D

-

G

-

F

-

V

-

N

-

R

-

W

L

F

L

L

E

D

P

P

I

L

L

A

H

G

A

R

K

G

Y

Y

A

P

E

Q

V

D

L

M

L

L

D

D

R

Y

L

Y

K

G

D

A

Y

A

F

A

P

P

D

Q

N

-

W

-

S

P

D

E

D

D

L

L

A

T

T

Q

I

I

A

A

E

A

P

P

I

L

D

D

W

W

L

L

S

G

V

V

T

N

V

Y

S
x
Y

Q

E

D

R

V

-

D

-

V

-

D

-

T

-

V

-

L

M

N

R

I

A

V

V

P

D

E

A

P

P

K

D

K

A

P

S

L

L

P

P

V

Q

F

A

I

Q

N

R

L

L

A

-

S

-

N

-

D

D

T

D

S

P

D

D

L

L

T

P

H

H

G

T

L

A

D

D

binding 5-hydroxymethyl-3,4-dihydroxypiperidine: H117 (= H73), E162 (vs. gap), Y289 (≠ S207)

Sites not aligning to the query:

binding 5-hydroxymethyl-3,4-dihydroxypiperidine: 16, 319, 346, 393, 400, 401, 409

6m6lB The crystal structure of glycosidase hydrolyzing notoginsenoside
33% identity, 20% coverage: 25:148/618 of query aligns to 72:209/445 of 6m6lB

query
sites
6m6lB

G

G

L

V

D

D

M

A

Y

Y

R

R

I

F

P

S

I

I

S

A

W

W

I

P

D

R

I

V

L

I

P

P

D

T

G

G

C

S

-

G

T

A

P

V

D

N

T

T

D

A

A

G

L

L

D

D

Q

Y

C

Y

E

D

Q

R

R

V

I

V

D

D

Q

D

I

L

L

L

S

A

L

E

N

G

L

I

R

K

P

P

C

F

V

V

V

T

L

L

D

Y

H
|
H

S

W

E

D

L

L

P

P

P

Q

A

A

L

L

E

Q

D

D

I

L

G

G